2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

C20H34N2O2S — CID 131919200

IUPAC2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCCC(CO)C1
InChIInChI=1S/C20H34N2O2S/c23-13-15-2-1-4-22(12-15)5-3-21-19(24)14-25-20-9-16-6-17(10-20)8-18(7-16)11-20/h15-18,23H,1-14H2,(H,21,24)
InChIKeyUOHKOQCDLRRLGB-UHFFFAOYSA-N
MW366.57 g/mol
LogP2.51
Rot. Bonds7

About 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 131919200) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID131919200
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCCC(CO)C1
InChIInChI=1S/C20H34N2O2S/c23-13-15-2-1-4-22(12-15)5-3-21-19(24)14-25-20-9-16-6-17(10-20)8-18(7-16)11-20/h15-18,23H,1-14H2,(H,21,24)
InChIKeyUOHKOQCDLRRLGB-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543595
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97135281
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (CID 131919200) is 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is O=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCCC(CO)C1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is UOHKOQCDLRRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c23-13-15-2-1-4-22(12-15)5-3-21-19(24)14-25-20-9-16-6-17(10-20)8-18(7-16)11-20/h15-18,23H,1-14H2,(H,21,24).
What are the key properties of 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 366.57 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 131919200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).